2-[2-azanyl-5-(4-methoxyphenoxy)phenyl]-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid

Systemtic Name: 2-[2-azanyl-5-(4-methoxyphenoxy)phenyl]-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid Openeye Name: 2-[2-amino-5-(4-methoxyphenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propanoic acid CAS Name: 2-[2-amino-5-(4-methoxyphenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid IUPAC Name: 2-[2-amino-5-(4-methoxyphenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid Traditional Name: 2-[2-amino-5-(4-methoxyphenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propionic acid Formula: C23H21NO6S MolecularWeight: 439.48094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)C(C2=C(C=CC(=C2)OC3=CC=C(C=C3)OC)N)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)C(C2=C(C=CC(=C2)OC3=CC=C(C=C3)OC)N)(C(=O)O)O

InChI

InChI=1S/C23H21NO6S/c1-28-15-5-3-14(4-6-15)21(31)23(27,22(25)26)19-13-18(11-12-20(19)24)30-17-9-7-16(29-2)8-10-17/h3-13,27H,24H2,1-2H3,(H,25,26)